The Molecular Structure of Allyl sec-butyl thiobarbituric acid (CAS NO.2095-58-1):
Molecular Formula: C₁₁H₁₆N₂O₂S
Molecular Weight: 240.321940 g/mol
Classification: Drug / Therapeutic Agent
IUPAC: 5-butan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione 
Nominal Mass: 240 Da
Average Mass: 240.3219 Da
Monoisotopic Mass: 240.093248 Da 
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.61
ACD/LogD (pH 7.4): 2.5
ACD/BCF (pH 5.5): 56.26
ACD/BCF (pH 7.4): 43.98
ACD/KOC (pH 5.5): 622.26
ACD/KOC (pH 7.4): 486.46 
Polar Surface Area: 72.71Ų
Index of Refraction: 1.557
Molar Refractivity: 65.33 cm³
Molar Volume: 202.8 cm³
Surface Tension: 49.4 dyne/cm
Density: 1.18 g/cm³ 
InChI: InChI=1/C11H16N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
Smiles: C1(C(NC(=S)NC1=O)=O)([C@@H](CC)C)CC=C

Poison by intravenous and rectal routes. When heated to decomposition it emits very toxic fumes of SO_x and NO_x. See also BARBITURATES and ALLYL COMPOUNDS.

 Allyl sec-butyl thiobarbituric acid (CAS NO.2095-58-1) is also called as 4-24-00-02006 (Beilstein Handbook Reference) ; 5-Allyl-5-sec-butyl-2-thiobarbituric acid ; BRN 0202154 ; Thiosebutal ; Barbituric acid, 5-allyl-5-sec-butyl-2-thio- .